The Physical Chemistry curriculum needs to incorporate Computational Chemistry as an essential component. In an effort to accomplish this at Washington and Lee University, the traditional one term Quantum Chemistry course has been significantly modified to include lectures on ab initio, semi-empirical, and DFT calculations. These lecture are preceded by rigorous introduction to quantum atomic and molecular theory. The subsequent Computational Chemistry lectures are accompanied by assignments on WebMO that utilize the techniques discussed. This is a new course and the results of initial assessment will be presented, along with details of the organization and content of the class.

Quantum and computational chemistry: A difficult and necessary classroom union

249th National Meeting (2015)

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